BOND ORDERS AND ENERGY COMPONENTS
ebook

BOND ORDERS AND ENERGY COMPONENTS (ebook)

ISTVÁN MAYER

$2,040.00
IVA incluido
Editorial:
CRC PRESS
Materia
FISICA
ISBN:
9781315357201
Formato:
Epublication content package
Idioma:
Inglés
DRM
Si

While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.